N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

C20H27NO3 — CID 17437463

IUPACN-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO3/c1-11-4-17(22)24-12(2)18(11)19(23)21-13(3)20-8-14-5-15(9-20)7-16(6-14)10-20/h4,13-16H,5-10H2,1-3H3,(H,21,23)
InChIKeyKVLDPYTYJZYHDP-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.59
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 17437463) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID17437463
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO3/c1-11-4-17(22)24-12(2)18(11)19(23)21-13(3)20-8-14-5-15(9-20)7-16(6-14)10-20/h4,13-16H,5-10H2,1-3H3,(H,21,23)
InChIKeyKVLDPYTYJZYHDP-UHFFFAOYSA-N
XLogP3.59
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 17437463) is N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is KVLDPYTYJZYHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-11-4-17(22)24-12(2)18(11)19(23)21-13(3)20-8-14-5-15(9-20)7-16(6-14)10-20/h4,13-16H,5-10H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 17437463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).